1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene

C26H22O2 — CID 3046200

IUPAC1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
SMILESc1ccc(Oc2cccc(CCc3cccc(Oc4ccccc4)c3)c2)cc1
InChIInChI=1S/C26H22O2/c1-3-11-23(12-4-1)27-25-15-7-9-21(19-25)17-18-22-10-8-16-26(20-22)28-24-13-5-2-6-14-24/h1-16,19-20H,17-18H2
InChIKeyCOEWCOFLTSIVMO-UHFFFAOYSA-N
MW366.46 g/mol
LogP7.06
Rot. Bonds7

About 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene

1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene (PubChem CID 3046200) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
PubChem CID3046200
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
SMILESc1ccc(Oc2cccc(CCc3cccc(Oc4ccccc4)c3)c2)cc1
InChIInChI=1S/C26H22O2/c1-3-11-23(12-4-1)27-25-15-7-9-21(19-25)17-18-22-10-8-16-26(20-22)28-24-13-5-2-6-14-24/h1-16,19-20H,17-18H2
InChIKeyCOEWCOFLTSIVMO-UHFFFAOYSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene?
The IUPAC name of 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene (CID 3046200) is 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene is c1ccc(Oc2cccc(CCc3cccc(Oc4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene?
The InChIKey is COEWCOFLTSIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-3-11-23(12-4-1)27-25-15-7-9-21(19-25)17-18-22-10-8-16-26(20-22)28-24-13-5-2-6-14-24/h1-16,19-20H,17-18H2.
What are the key properties of 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene?
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene has a molecular weight of 366.46 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene is sourced from PubChem (CID 3046200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).